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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Apr-2026/Marcus_Theory/EnT Z_TFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDDEF2SVP-540.070776517; Eh
Login required20-Apr-2026/Marcus_Theory/EnT ZFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDDEF2SVP-540.137886355; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Amino_Radical add2_NFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDDEF2SVP-787.229660568; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Amino_Radical add1_NFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDDEF2SVP-787.220283455; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Amino_Radical TS_HAT1Funes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization TSUwB97XDDEF2SVP-787.217983353; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Amino_Radical A2Funes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDDEF2SVP-292.123642850; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Boryl_Radical B1Funes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDDEF2SVP-318.102340654; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Amino_Radical A1Funes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDDEF2SVP-291.470593043; Eh
Login required20-Apr-2026/Radical_Abstractions/HAT/Amino_Radical S1Funes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDDEF2SVP-495.747288568; Eh
Login required20-Apr-2026/Marcus_Theory/EnT/Landa_P Z3_TFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Single point StructureRwB97XD; UwB97XDDEF2SVP-540.011753; Eh
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